SCHEMBL305694

SCHEMBL305694

COC(=O)c1ccc(C(Br)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
OPRD1 P41143 2/20 0.55
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ROCK2 O75116 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21831286 0.93 CA1 (0.57) TSHRL3MBTL1ALDH1A1GAARAB9A
SCHEMBL28002457 0.86 TSHR (0.53) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL307688 0.85 TSHR (0.56) TSHRL3MBTL1ALDH1A1GAARAB9A
SCHEMBL3297640 0.84 ALDH1A1 (0.51) TSHRL3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL13266934 0.84 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL2484883 0.84 TSHR (0.59) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL30251598 0.84 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL2680771 0.84 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL866718 0.84 TSHR (0.64) TSHRL3MBTL1ALDH1A1GAAOPRD1
SCHEMBL16664376 0.84 TSHR (0.59) TSHRL3MBTL1ALDH1A1GAAOPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
EP-0044119-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE STAMICARBON B.V. (NL) 1985-05-29 EP disclosed
EP-0083228-B1 PHARMACEUTICALLY ACTIVE PHENYLCARBOXYLIC ACID DERIVATIVES ICI AMERICAS INC. (US) 1985-05-15 EP disclosed
US-4499299-A Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1985-02-12 US disclosed
US-4435552-A COORDINATION CATALYST CONTAINING HALOACYL COMPOUND STAMICARBON B.V. (NL) 1984-03-06 US disclosed
EP-0083228-A1 Pharmaceutically active phenylcarboxylic acid derivatives ICI AMERICAS INC. (US) 1983-07-06 EP disclosed
EP-0044119-A2 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 TSHR 24/4885L3MBTL1 2427/4885ALDH1A1 625/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 TSHR 179/4885L3MBTL1 1233/4885ALDH1A1 1841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.